Eneconv produces NaN values for the running average if the values are zero.Example: eneconv -f ener.edr -b 20 -e 22 -o new.edrwhere in ener.edr there are values that are always 0, like the LJ-14 betweendifferent energy groups that are not in the same molecule.

History

A division by zero caused this problem and it was removed. An energy fileconsisting of a subset of an original now yields the same averages andfluctations as the original, whether or not there were zero's in certain energyterms.